SCHEMBL4957669

SCHEMBL4957669

CCOC(=O)[C@H](C#N)NC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.35
PRKD3 O94806 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
METAP2 P50579 7/20 0.34
METAP1 P53582 6/20 0.34
LMNA P02545 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2829956 1.00 APOBEC3G (0.43) APOBEC3GALDH1A1TSHRGAAMEN1
SCHEMBL7601775 0.85 ALDH1A1 (0.39) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1564967 0.81 SOAT1 (0.41) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1194168 0.81 SOAT1 (0.41) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1968575 0.80 RXFP1 (0.39) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL2775866 0.80 RXFP1 (0.39) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL3203978 0.77 MMP8 (0.36) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1967339 0.77 KMT2A (0.41) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL20838333 0.77 ALDH1A1 (0.39) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL28440232 0.77 ALDH1A1 (0.39) ALDH1A1TSHRGAAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312291-A1 Heterocyclic Gaba-b Modulators GABBR1, GABBR2, GABRB1 APOBEC3G 4854/4885ALDH1A1 1429/4885TSHR 114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.